ChemSpider 2D Image | {5-[(6-Bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methanol | C14H16BrNO6

{5-[(6-Bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methanol

  • Molecular FormulaC14H16BrNO6
  • Average mass374.184 Da
  • Monoisotopic mass373.016083 Da
  • ChemSpider ID22752115

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{5-[(6-Brom-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methanol [German] [ACD/IUPAC Name]
{5-[(6-Bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methanol [ACD/IUPAC Name]
{5-[(6-Bromo-4,7-diméthoxy-1,3-benzodioxol-5-yl)méthyl]-4,5-dihydro-1,2-oxazol-3-yl}méthanol [French] [ACD/IUPAC Name]
3-Isoxazolemethanol, 5-[(6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro- [ACD/Index Name]
[5-(6-Bromo-4,7-dimethoxy-benzo[1,3]dioxol-5-ylmethyl)-4,5-dihydro-isoxazol-3-yl]-methanol
[5-[(6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol
{5-[(6-bromo-4,7-dimethoxy-2H-benzo[d]1,3-dioxolen-5-yl)methyl]-4,5-dihydroisoxazol-3-yl}methan-1-ol
948010-53-5 [RN]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 460.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.0±3.0 kJ/mol
    Flash Point: 232.3±31.5 °C
    Index of Refraction: 1.630
    Molar Refractivity: 77.5±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.38
    ACD/LogD (pH 5.5): 2.69
    ACD/BCF (pH 5.5): 65.48
    ACD/KOC (pH 5.5): 694.34
    ACD/LogD (pH 7.4): 2.69
    ACD/BCF (pH 7.4): 65.48
    ACD/KOC (pH 7.4): 694.34
    Polar Surface Area: 79 Å2
    Polarizability: 30.7±0.5 10-24cm3
    Surface Tension: 50.4±7.0 dyne/cm
    Molar Volume: 217.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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